3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propyl carbamimidothioate

Systemtic Name: 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propyl carbamimidothioate Openeye Name: 2-[3-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propyl]isothiourea CAS Name: carbamimidothioic acid 3-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propyl ester IUPAC Name: 3-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propyl carbamimidothioate Traditional Name: 2-[3-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propyl]isothiourea Formula: C10H13BrN6O2S MolecularWeight: 361.21822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC(=N)N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC(=N)N

InChI

InChI=1S/C10H13BrN6O2S/c1-16-6-5(7(18)15-10(16)19)17(8(11)14-6)3-2-4-20-9(12)13/h2-4H2,1H3,(H3,12,13)(H,15,18,19)